4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide

C17H24N4O3 — CID 118760974

IUPAC4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide
SMILESCNC(=O)C1(NC(=O)Nc2cc(C(N)=O)ccc2C)CCCCC1
InChIInChI=1S/C17H24N4O3/c1-11-6-7-12(14(18)22)10-13(11)20-16(24)21-17(15(23)19-2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H2,20,21,24)
InChIKeyWNMONXQUCAMVTP-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.66
Rot. Bonds4

About 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide

4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide (PubChem CID 118760974) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide
PubChem CID118760974
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide
SMILESCNC(=O)C1(NC(=O)Nc2cc(C(N)=O)ccc2C)CCCCC1
InChIInChI=1S/C17H24N4O3/c1-11-6-7-12(14(18)22)10-13(11)20-16(24)21-17(15(23)19-2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H2,20,21,24)
InChIKeyWNMONXQUCAMVTP-UHFFFAOYSA-N
XLogP1.66
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylbenzoic acid
CID 119219361
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508
1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 118774705
1-[(4-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61186362
1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 34354093
4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide
CID 138997163
3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
CID 168974018
N-(5-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 110471858
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 43706072

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide?
The IUPAC name of 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide (CID 118760974) is 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide?
The canonical SMILES for 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide is CNC(=O)C1(NC(=O)Nc2cc(C(N)=O)ccc2C)CCCCC1.
What is the InChIKey of 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide?
The InChIKey is WNMONXQUCAMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-6-7-12(14(18)22)10-13(11)20-16(24)21-17(15(23)19-2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H2,20,21,24).
What are the key properties of 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide?
4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide has a molecular weight of 332.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide is sourced from PubChem (CID 118760974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).